#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2x s VAL 2 N 0.00 2.54 -0.01 3.84 -7.23 -1.26 -4.20 120.40 114.09 2b2x s VAL 2 Ca 0.00 0.44 -0.21 0.00 -1.81 0.00 0.00 61.98 60.40 2b2x s VAL 2 Cb 0.00 -3.28 0.04 0.00 0.56 0.00 0.00 36.38 33.70 2b2x s VAL 2 CO 0.00 0.06 0.46 -1.58 -0.31 0.00 0.00 175.10 173.73 2b2x s GLN 3 N -0.02 0.87 0.01 4.82 0.74 -0.01 -4.98 119.66 121.09 2b2x s GLN 3 Ca 0.63 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.95 2b2x s GLN 3 Cb -0.43 0.40 -0.01 0.00 1.10 0.00 0.00 33.01 34.06 2b2x s GLN 3 CO 0.41 -0.27 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.29 2b2x s LEU 4 N -1.50 2.09 -0.19 3.68 1.43 -1.26 -1.52 118.68 121.41 2b2x s LEU 4 Ca -0.10 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 2b2x s LEU 4 Cb -0.02 -0.32 0.06 0.00 0.03 0.00 0.00 46.19 45.93 2b2x s LEU 4 CO 0.04 0.01 0.04 -0.69 0.23 0.00 0.00 176.35 175.98 2b2x s VAL 5 N -0.52 0.41 0.60 -1.59 1.01 -0.38 -4.21 120.40 115.70 2b2x s VAL 5 Ca -0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 2b2x s VAL 5 Cb -0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2b2x s VAL 5 CO 0.00 -0.21 1.05 -1.61 0.00 0.00 0.00 175.10 174.33 2b2x s GLU 6 N 1.91 3.33 0.07 2.72 8.01 -1.26 -2.16 118.70 131.32 2b2x s GLU 6 Ca -0.00 1.14 -0.21 0.00 0.01 0.00 0.00 54.97 55.91 2b2x s GLU 6 Cb -0.17 -2.04 0.05 0.00 -4.31 0.00 0.00 34.13 27.66 2b2x s GLU 6 CO -0.08 -0.80 0.50 -1.12 0.01 0.00 0.00 175.26 173.77 2b2x s SER 7 N -2.96 -0.40 0.00 -0.19 0.01 -0.25 -4.82 113.70 105.08 2b2x s SER 7 Ca 0.62 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2b2x s SER 7 Cb -0.15 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2b2x s SER 7 CO 0.39 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2b2x n GLY 8 N 0.21 0.51 3.69 3.44 0.00 -1.26 -1.47 105.19 110.31 2b2x n GLY 8 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2b2x n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b2x s GLY 9 N -1.85 1.66 0.00 -0.02 0.00 -1.26 -4.75 107.32 101.10 2b2x s GLY 9 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2b2x s GLY 9 CO 0.00 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.49 2b2x n GLY 10 N -0.34 -2.65 3.73 0.20 0.00 0.33 -4.87 105.19 101.58 2b2x n GLY 10 Ca 0.10 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 2b2x n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b2x s LEU 11 N 0.00 4.45 -0.05 0.99 2.96 -1.26 -1.32 118.68 124.46 2b2x s LEU 11 Ca 0.00 1.58 -0.07 0.00 -0.22 0.00 0.00 54.13 55.42 2b2x s LEU 11 Cb 0.00 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.32 2b2x s LEU 11 CO 0.00 -0.05 0.19 0.54 -1.32 0.00 0.00 176.35 175.71 2b2x s VAL 12 N 0.11 0.02 0.57 1.68 0.11 -0.15 -4.96 120.40 117.78 2b2x s VAL 12 Ca 0.43 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.12 2b2x s VAL 12 Cb -0.21 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 2b2x s VAL 12 CO 0.26 -0.11 1.02 -1.10 -3.33 0.00 0.00 175.10 171.84 2b2x s GLN 13 N -0.36 3.58 0.23 1.54 -0.21 -1.25 -1.74 119.66 121.46 2b2x s GLN 13 Ca -0.05 1.05 -0.32 0.00 0.02 0.00 0.00 55.36 56.07 2b2x s GLN 13 Cb -0.03 -2.08 -0.12 0.00 1.00 0.00 0.00 33.01 31.78 2b2x s GLN 13 CO 0.01 -0.58 1.61 -2.30 -2.12 0.00 0.00 175.29 171.90 2b2x n PRO 14 N -1.96 2.53 -0.11 2.91 -0.02 -1.26 -0.31 135.00 136.78 2b2x n PRO 14 Ca 0.08 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2b2x n PRO 14 Cb 0.53 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2b2x n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b2x n GLY 15 N 3.01 0.96 3.95 -1.23 0.00 0.78 -4.97 105.19 107.69 2b2x n GLY 15 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2b2x n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b2x s GLY 16 N -1.81 1.78 0.22 -0.02 0.00 0.58 -4.33 107.32 103.75 2b2x s GLY 16 Ca 0.00 -1.37 0.11 0.00 0.00 0.00 0.00 44.72 43.46 2b2x s GLY 16 CO 0.00 -0.64 -0.21 -0.45 0.00 0.00 0.00 173.10 171.80 2b2x s SER 17 N -4.86 3.30 -0.25 1.64 0.15 -1.26 -1.91 113.70 110.50 2b2x s SER 17 Ca 0.72 -0.95 -0.22 0.00 0.70 0.00 0.00 55.95 56.21 2b2x s SER 17 Cb -0.04 -0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.09 2b2x s SER 17 CO 0.51 0.04 0.66 -0.22 1.20 0.00 0.00 173.24 175.43 2b2x s LEU 18 N -3.06 -0.57 -0.20 3.45 2.96 -0.27 -4.99 118.68 115.99 2b2x s LEU 18 Ca 0.24 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.48 2b2x s LEU 18 Cb -0.06 2.28 0.01 0.00 0.50 0.00 0.00 46.19 48.92 2b2x s LEU 18 CO 0.11 -0.23 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.19 2b2x s ARG 19 N 0.48 3.15 0.16 1.98 3.52 -1.26 -0.51 118.95 126.46 2b2x s ARG 19 Ca -0.01 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 54.84 2b2x s ARG 19 Cb -0.05 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2b2x s ARG 19 CO -0.01 -0.22 0.33 -0.51 -0.81 0.00 0.00 175.30 174.09 2b2x s LEU 20 N 1.37 4.28 0.04 -0.88 1.43 0.28 -4.61 118.68 120.59 2b2x s LEU 20 Ca 0.05 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2b2x s LEU 20 Cb -0.14 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2b2x s LEU 20 CO -0.08 0.02 -0.02 -0.94 0.23 0.00 0.00 176.35 175.56 2b2x s SER 21 N -3.02 0.38 -0.06 2.29 1.04 -0.54 -1.25 113.70 112.54 2b2x s SER 21 Ca 0.37 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 2b2x s SER 21 Cb -0.11 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.21 2b2x s SER 21 CO 0.28 -0.49 0.11 0.00 0.98 0.00 0.00 173.24 174.13 2b2x s ALA 23 N 1.88 3.62 0.17 0.00 0.00 -0.92 0.02 121.76 126.53 2b2x s ALA 23 Ca -0.00 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.49 2b2x s ALA 23 Cb -0.12 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2b2x s ALA 23 CO -0.05 0.09 0.04 0.00 0.00 0.00 0.00 175.76 175.85 2b2x s ALA 24 N 0.48 3.32 0.09 0.00 0.00 -0.29 -1.25 121.76 124.11 2b2x s ALA 24 Ca 0.14 -1.32 -0.25 0.00 0.00 0.00 0.00 51.96 50.52 2b2x s ALA 24 Cb -0.12 -1.11 0.08 0.00 0.00 0.00 0.00 23.12 21.96 2b2x s ALA 24 CO 0.02 0.48 0.66 -1.54 0.00 0.00 0.00 175.76 175.39 2b2x s SER 25 N -3.02 -0.55 0.00 0.00 1.04 -0.58 -4.88 113.70 105.71 2b2x s SER 25 Ca 0.29 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2b2x s SER 25 Cb -0.09 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2b2x s SER 25 CO 0.20 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2b2x n GLY 26 N -0.08 0.91 3.61 7.32 0.00 -1.26 -0.83 105.19 114.86 2b2x n GLY 26 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2b2x n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2b2x s PHE 27 N -3.02 0.08 -1.36 1.61 -0.71 -1.26 -4.28 117.98 109.03 2b2x s PHE 27 Ca 0.00 -0.46 -0.15 0.00 -1.04 0.00 0.00 56.93 55.28 2b2x s PHE 27 Cb 0.00 0.36 0.07 0.00 -1.21 0.00 0.00 43.02 42.24 2b2x s PHE 27 CO 0.00 -1.00 1.95 2.41 -1.34 0.00 0.00 175.22 177.23 2b2x n THR 28 N -0.38 3.78 -0.23 -4.49 -1.04 -1.26 -4.87 114.28 105.79 2b2x n THR 28 Ca -0.05 -3.68 -0.01 0.00 -2.04 0.00 0.00 64.05 58.26 2b2x n THR 28 Cb 0.62 -2.47 0.02 0.00 -1.82 0.00 0.00 70.33 66.67 2b2x n THR 28 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2b2x n PHE 29 N 6.83 -0.01 0.32 -1.42 7.35 -1.26 -1.24 117.46 128.04 2b2x n PHE 29 Ca 0.49 0.74 0.18 0.00 -0.76 0.00 0.00 57.45 58.10 2b2x n PHE 29 Cb 0.42 -0.71 0.98 0.00 0.35 0.00 0.00 39.48 40.52 2b2x n PHE 29 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2b2x h SER 30 N 0.00 0.00 0.72 -2.13 4.64 -1.90 -1.28 113.55 113.59 2b2x h SER 30 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2b2x h SER 30 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2b2x h SER 30 CO -0.59 0.00 -0.39 -1.14 -0.87 0.00 0.00 176.83 173.84 2b2x n ARG 31 N -2.91 0.06 -4.12 4.77 3.00 -0.37 -4.56 116.66 112.53 2b2x n ARG 31 Ca -0.02 0.02 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2b2x n ARG 31 Cb 0.21 -1.54 -0.07 0.00 0.00 0.00 0.00 32.46 31.06 2b2x n ARG 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2b2x s TYR 32 N -3.03 3.27 -0.04 -0.14 1.51 -0.49 -4.68 117.35 113.75 2b2x s TYR 32 Ca 0.11 0.20 -0.23 0.00 -1.01 0.00 0.00 57.07 56.14 2b2x s TYR 32 Cb 0.17 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2b2x s TYR 32 CO 0.66 0.54 0.68 0.95 -1.11 0.00 0.00 175.55 177.27 2b2x s THR 33 N -1.17 4.99 0.17 -0.71 -4.23 -1.26 -3.81 115.64 109.62 2b2x s THR 33 Ca 0.22 1.41 0.08 0.00 -1.18 0.00 0.00 61.69 62.21 2b2x s THR 33 Cb -0.12 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 2b2x s THR 33 CO 0.13 0.30 -0.05 -0.04 -0.54 0.00 0.00 174.62 174.42 2b2x s MET 34 N 0.51 2.25 0.17 3.99 1.00 0.70 -1.87 119.30 126.05 2b2x s MET 34 Ca 0.36 -1.15 -0.00 0.00 0.00 0.00 0.00 55.69 54.89 2b2x s MET 34 Cb -0.18 -2.28 -0.04 0.00 0.00 0.00 0.00 34.83 32.33 2b2x s MET 34 CO 0.18 0.45 0.08 -1.12 0.00 0.00 0.00 175.02 174.61 2b2x s SER 35 N -2.81 0.48 -0.06 3.03 0.01 -0.64 -0.30 113.70 113.42 2b2x s SER 35 Ca 0.26 -1.28 0.05 0.00 1.31 0.00 0.00 55.95 56.29 2b2x s SER 35 Cb -0.09 0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.41 2b2x s SER 35 CO 0.17 -0.74 -0.21 0.26 0.41 0.00 0.00 173.24 173.12 2b2x s TRP 36 N -4.00 2.13 0.00 2.43 0.52 -0.76 -0.96 118.94 118.30 2b2x s TRP 36 Ca 0.30 -0.68 0.05 0.00 0.02 0.00 0.00 56.10 55.79 2b2x s TRP 36 Cb 0.07 -1.42 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 2b2x s TRP 36 CO 0.06 -0.23 -0.16 0.08 0.02 0.00 0.00 176.95 176.72 2b2x s VAL 37 N 0.03 1.25 0.22 4.03 1.01 -0.09 -0.96 120.40 125.91 2b2x s VAL 37 Ca -0.07 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2b2x s VAL 37 Cb -0.14 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2b2x s VAL 37 CO 0.04 0.27 -0.17 0.00 0.00 0.00 0.00 175.10 175.24 2b2x s ARG 38 N -0.59 1.45 -0.22 2.72 1.70 -0.47 0.70 118.95 124.23 2b2x s ARG 38 Ca 0.05 -1.62 -0.04 0.00 -0.47 0.00 0.00 55.73 53.66 2b2x s ARG 38 Cb -0.07 -1.40 0.09 0.00 -0.57 0.00 0.00 34.95 33.00 2b2x s ARG 38 CO -0.00 0.26 0.18 -1.14 -1.08 0.00 0.00 175.30 173.52 2b2x s GLN 39 N -3.43 0.17 0.71 3.89 0.74 -0.38 -1.13 119.66 120.22 2b2x s GLN 39 Ca 0.24 -0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.45 2b2x s GLN 39 Cb -0.03 -1.29 0.03 0.00 1.10 0.00 0.00 33.01 32.81 2b2x s GLN 39 CO 0.10 -0.78 1.17 0.00 -0.55 0.00 0.00 175.29 175.23 2b2x s ALA 40 N 2.24 2.23 -0.08 1.58 0.00 -1.26 -1.81 121.76 124.66 2b2x s ALA 40 Ca 0.06 0.75 -0.33 0.00 0.00 0.00 0.00 51.96 52.45 2b2x s ALA 40 Cb -0.16 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 2b2x s ALA 40 CO -0.19 -1.67 1.96 -2.30 0.00 0.00 0.00 175.76 173.57 2b2x n PRO 41 N -2.63 2.29 -1.04 0.00 -0.02 -1.26 -1.68 135.00 130.67 2b2x n PRO 41 Ca 0.12 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 2b2x n PRO 41 Cb 0.51 -2.80 -0.01 0.00 -0.02 0.00 0.00 33.50 31.19 2b2x n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b2x n GLY 42 N 4.71 0.51 1.35 -1.23 0.00 -1.26 -5.03 105.19 104.23 2b2x n GLY 42 Ca 0.24 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2b2x n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b2x n LYS 43 N -2.80 1.09 -1.19 1.61 5.02 -0.67 -5.17 118.16 116.05 2b2x n LYS 43 Ca -0.01 -1.38 -0.14 0.00 -2.02 0.00 0.00 58.31 54.75 2b2x n LYS 43 Cb 0.06 0.59 0.09 0.00 -0.02 0.00 0.00 35.03 35.76 2b2x n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b2x n GLY 44 N 1.73 -0.69 3.84 0.72 0.00 -1.26 -4.71 105.19 104.82 2b2x n GLY 44 Ca -0.05 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 2b2x n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b2x s LEU 45 N 0.00 4.23 -0.17 0.99 1.43 -1.26 -4.16 118.68 119.73 2b2x s LEU 45 Ca 0.38 1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 54.69 2b2x s LEU 45 Cb -0.01 -3.71 0.08 0.00 0.03 0.00 0.00 46.19 42.58 2b2x s LEU 45 CO 0.26 -0.05 0.21 -0.70 0.23 0.00 0.00 176.35 176.30 2b2x s GLU 46 N -2.41 0.15 0.42 1.70 2.12 -0.28 -4.99 118.70 115.40 2b2x s GLU 46 Ca 0.46 0.34 -0.26 0.00 0.36 0.00 0.00 54.97 55.87 2b2x s GLU 46 Cb -0.14 -0.89 -0.09 0.00 0.26 0.00 0.00 34.13 33.28 2b2x s GLU 46 CO 0.19 -0.54 1.40 -0.46 -0.54 0.00 0.00 175.26 175.31 2b2x s TRP 47 N 2.33 2.61 -0.04 5.30 -0.00 -1.26 -1.37 118.94 126.50 2b2x s TRP 47 Ca 0.05 1.29 -0.02 0.00 -0.00 0.00 0.00 56.10 57.43 2b2x s TRP 47 Cb -0.15 -3.86 -0.02 0.00 -0.00 0.00 0.00 33.47 29.45 2b2x s TRP 47 CO -0.10 -2.66 -0.05 0.28 -0.00 0.00 0.00 176.95 174.41 2b2x n VAL 48 N 0.05 0.22 -3.61 5.86 0.31 -0.13 -4.74 118.33 116.30 2b2x n VAL 48 Ca 0.04 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 2b2x n VAL 48 Cb 0.42 -1.44 -0.04 0.00 -0.91 0.00 0.00 33.84 31.87 2b2x n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b2x s ALA 49 N -2.07 -1.07 -0.05 3.52 0.00 -1.19 -1.43 121.76 119.46 2b2x s ALA 49 Ca -0.06 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 2b2x s ALA 49 Cb 0.02 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.94 2b2x s ALA 49 CO 0.07 -0.71 0.30 0.54 0.00 0.00 0.00 175.76 175.96 2b2x s VAL 50 N -3.81 0.04 -0.04 0.00 0.11 -0.69 -1.84 120.40 114.17 2b2x s VAL 50 Ca 0.04 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2b2x s VAL 50 Cb 0.01 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2b2x s VAL 50 CO -0.10 -0.18 -0.00 -0.51 -3.33 0.00 0.00 175.10 170.98 2b2x s ILE 51 N -0.80 0.26 0.85 7.04 2.07 0.59 -1.31 121.20 129.90 2b2x s ILE 51 Ca -0.09 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.11 2b2x s ILE 51 Cb -0.04 -0.36 0.10 0.00 0.13 0.00 0.00 42.46 42.29 2b2x s ILE 51 CO 0.03 0.18 1.17 -0.94 -1.91 0.00 0.00 174.94 173.47 2b2x s SER 52 N 1.26 4.10 0.25 4.50 1.04 0.18 -0.22 113.70 124.82 2b2x s SER 52 Ca -0.06 0.84 0.21 0.00 0.48 0.00 0.00 55.95 57.42 2b2x s SER 52 Cb -0.13 -1.35 0.97 0.00 0.10 0.00 0.00 66.02 65.60 2b2x s SER 52 CO -0.02 -2.17 1.65 0.61 0.98 0.00 0.00 173.24 174.29 2b2x n GLY 53 N -2.91 -1.11 0.22 7.32 0.00 -1.25 -1.25 105.19 106.21 2b2x n GLY 53 Ca 0.08 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2b2x n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2x n GLY 54 N -0.43 -0.67 0.53 -0.02 0.00 -1.26 -4.92 105.19 98.43 2b2x n GLY 54 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2b2x n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2x n GLY 55 N 1.34 0.58 3.72 -0.02 0.00 -0.38 -5.05 105.19 105.37 2b2x n GLY 55 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2b2x n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b2x s HIS 56 N -2.31 3.52 0.09 1.61 3.76 -1.26 -4.76 115.29 115.94 2b2x s HIS 56 Ca 0.00 1.45 0.09 0.00 -0.15 0.00 0.00 55.06 56.45 2b2x s HIS 56 Cb 0.00 -3.33 -0.04 0.00 1.11 0.00 0.00 32.58 30.33 2b2x s HIS 56 CO 0.00 -0.87 -0.20 0.95 -0.85 0.00 0.00 174.74 173.77 2b2x s THR 57 N 0.76 2.68 0.06 1.30 -4.23 -1.26 -0.64 115.64 114.31 2b2x s THR 57 Ca 0.55 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2b2x s THR 57 Cb -0.28 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 2b2x s THR 57 CO 0.30 0.19 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.20 2b2x s TYR 58 N -1.04 0.63 0.05 3.99 2.02 -0.43 -4.99 117.35 117.58 2b2x s TYR 58 Ca 0.16 -0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 56.12 2b2x s TYR 58 Cb -0.10 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 2b2x s TYR 58 CO 0.07 -0.17 -0.03 0.71 -1.57 0.00 0.00 175.55 174.56 2b2x s TYR 59 N -2.49 0.49 0.02 2.71 2.02 -1.26 -1.71 117.35 117.14 2b2x s TYR 59 Ca -0.02 -1.01 -0.26 0.00 -0.37 0.00 0.00 57.07 55.41 2b2x s TYR 59 Cb -0.02 -0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2b2x s TYR 59 CO -0.03 -0.36 0.81 -1.17 -1.57 0.00 0.00 175.55 173.23 2b2x s LEU 60 N -2.75 4.42 0.27 -1.29 2.96 -0.51 -4.88 118.68 116.89 2b2x s LEU 60 Ca 0.04 1.48 -0.10 0.00 -0.22 0.00 0.00 54.13 55.33 2b2x s LEU 60 Cb 0.06 -3.30 0.42 0.00 0.50 0.00 0.00 46.19 43.87 2b2x s LEU 60 CO -0.09 -0.07 1.55 0.47 -1.32 0.00 0.00 176.35 176.90 2b2x n ASP 61 N 3.17 -0.41 0.00 3.68 8.00 -1.26 -0.49 116.55 129.24 2b2x n ASP 61 Ca -0.00 1.72 0.00 0.00 0.71 0.00 0.00 54.79 57.22 2b2x n ASP 61 Cb 0.50 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2b2x n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2b2x n SER 62 N -5.60 0.00 0.00 -2.24 3.41 -1.26 -2.65 113.62 105.28 2b2x n SER 62 Ca 0.15 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2b2x n SER 62 Cb 0.48 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2b2x n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2b2x n VAL 63 N -1.41 0.00 -1.88 -3.33 0.24 0.35 -4.98 118.33 107.33 2b2x n VAL 63 Ca 0.00 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 2b2x n VAL 63 Cb 0.00 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 2b2x n VAL 63 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2b2x s GLU 64 N -0.99 4.19 0.00 7.34 2.12 -0.82 -1.01 118.70 129.53 2b2x s GLU 64 Ca 0.00 2.41 0.00 0.00 0.36 0.00 0.00 54.97 57.74 2b2x s GLU 64 Cb 0.00 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2b2x s GLU 64 CO 0.00 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 2b2x n GLY 65 N 3.86 2.11 0.27 -1.50 0.00 -1.26 -4.84 105.19 103.83 2b2x n GLY 65 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 2b2x n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b2x n ARG 66 N -1.65 0.06 -3.84 1.61 1.74 -0.18 -5.02 116.66 109.38 2b2x n ARG 66 Ca 0.00 0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.78 2b2x n ARG 66 Cb 0.00 -0.92 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 2b2x n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2b2x s PHE 67 N -2.05 3.52 -0.07 -1.55 0.40 -0.51 -1.62 117.98 116.10 2b2x s PHE 67 Ca -0.03 0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.66 2b2x s PHE 67 Cb 0.01 -1.85 0.03 0.00 0.51 0.00 0.00 43.02 41.72 2b2x s PHE 67 CO 0.05 0.56 -0.00 0.99 0.70 0.00 0.00 175.22 177.53 2b2x s THR 68 N -1.50 0.36 -0.08 0.64 2.01 -0.06 -4.79 115.64 112.22 2b2x s THR 68 Ca 0.35 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 2b2x s THR 68 Cb -0.13 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2b2x s THR 68 CO 0.25 0.25 0.27 -0.51 -0.69 0.00 0.00 174.62 174.19 2b2x s ILE 69 N 1.82 5.28 0.26 1.82 2.07 -1.26 -0.96 121.20 130.23 2b2x s ILE 69 Ca 0.03 0.51 -0.04 0.00 -1.41 0.00 0.00 60.65 59.74 2b2x s ILE 69 Cb -0.12 -3.56 -0.02 0.00 0.13 0.00 0.00 42.46 38.88 2b2x s ILE 69 CO -0.04 0.56 0.32 -0.94 -1.91 0.00 0.00 174.94 172.92 2b2x s SER 70 N -0.74 0.37 0.01 4.50 1.04 -0.97 -4.99 113.70 112.93 2b2x s SER 70 Ca 0.18 -1.30 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 2b2x s SER 70 Cb -0.14 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.51 2b2x s SER 70 CO 0.07 -1.05 0.22 0.00 0.98 0.00 0.00 173.24 173.47 2b2x s ARG 71 N -3.83 0.63 -0.35 4.02 1.70 -1.26 -0.95 118.95 118.92 2b2x s ARG 71 Ca 0.32 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 2b2x s ARG 71 Cb 0.03 0.27 0.11 0.00 -0.57 0.00 0.00 34.95 34.79 2b2x s ARG 71 CO 0.14 -0.18 0.14 0.34 -1.08 0.00 0.00 175.30 174.67 2b2x s ASP 72 N -1.65 3.89 0.62 -2.89 3.68 -0.43 -5.00 116.67 114.89 2b2x s ASP 72 Ca -0.10 -1.96 0.40 0.00 2.13 0.00 0.00 52.55 53.01 2b2x s ASP 72 Cb -0.04 -0.91 2.02 0.00 -1.45 0.00 0.00 42.92 42.53 2b2x s ASP 72 CO 0.00 -0.37 2.23 0.78 0.13 0.00 0.00 175.17 177.94 2b2x h ASN 73 N 7.63 0.00 1.23 -0.34 -0.26 -1.97 -1.93 115.58 119.95 2b2x h ASN 73 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2b2x h ASN 73 Cb 0.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 2b2x h ASN 73 CO 0.46 0.00 0.00 0.77 -1.06 0.00 0.00 177.43 177.61 2b2x h SER 74 N 0.00 0.00 -0.01 5.81 4.64 -1.95 -3.04 113.55 119.01 2b2x h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b2x h SER 74 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2b2x h SER 74 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2b2x n LYS 75 N -2.78 2.01 -3.97 4.77 5.02 -0.78 -4.99 118.16 117.43 2b2x n LYS 75 Ca 0.02 -1.27 -0.28 0.00 -2.02 0.00 0.00 58.31 54.77 2b2x n LYS 75 Cb 0.35 -1.01 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 2b2x n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b2x n ASN 76 N -0.34 -1.67 -4.20 4.39 5.03 -0.86 -4.80 115.26 112.80 2b2x n ASN 76 Ca 0.00 -0.95 -0.22 0.00 0.87 0.00 0.00 54.58 54.28 2b2x n ASN 76 Cb 0.19 -3.24 -0.13 0.00 -1.02 0.00 0.00 39.78 35.58 2b2x n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2b2x s THR 77 N -3.69 1.38 0.04 3.41 2.01 -1.04 -1.14 115.64 116.60 2b2x s THR 77 Ca 0.25 -1.16 0.06 0.00 0.31 0.00 0.00 61.69 61.16 2b2x s THR 77 Cb -0.13 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2b2x s THR 77 CO 0.88 0.05 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.49 2b2x s LEU 78 N -1.28 2.76 0.17 4.42 2.96 0.10 -1.32 118.68 126.49 2b2x s LEU 78 Ca 0.04 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 2b2x s LEU 78 Cb -0.09 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2b2x s LEU 78 CO 0.02 0.26 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.86 2b2x s TYR 79 N -0.96 1.54 -0.19 5.38 2.02 -0.12 0.69 117.35 125.71 2b2x s TYR 79 Ca 0.15 -0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 56.21 2b2x s TYR 79 Cb -0.11 -0.76 0.07 0.00 -0.40 0.00 0.00 41.96 40.76 2b2x s TYR 79 CO 0.06 0.24 0.09 -1.17 -1.57 0.00 0.00 175.55 173.20 2b2x s LEU 80 N -2.98 0.53 -0.33 -1.29 2.96 -0.38 -2.29 118.68 114.90 2b2x s LEU 80 Ca 0.17 -0.76 -0.20 0.00 -0.22 0.00 0.00 54.13 53.12 2b2x s LEU 80 Cb -0.02 -0.32 -0.01 0.00 0.50 0.00 0.00 46.19 46.35 2b2x s LEU 80 CO 0.04 -0.36 0.60 -1.58 -1.32 0.00 0.00 176.35 173.74 2b2x s GLN 81 N 2.08 3.79 -0.24 1.98 2.00 -0.14 -0.56 119.66 128.59 2b2x s GLN 81 Ca 0.03 0.14 -0.04 0.00 -2.00 0.00 0.00 55.36 53.49 2b2x s GLN 81 Cb -0.16 -3.76 -0.00 0.00 0.80 0.00 0.00 33.01 29.88 2b2x s GLN 81 CO -0.13 -0.62 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.38 2b2x s MET 82 N 2.59 3.28 0.35 1.67 -1.94 0.33 -0.88 119.30 124.70 2b2x s MET 82 Ca 0.24 -0.70 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 2b2x s MET 82 Cb -0.15 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 2b2x s MET 82 CO 0.13 -0.26 0.09 -0.80 -0.01 0.00 0.00 175.02 174.16 2b2x s ASN 83 N 1.47 4.41 -1.63 3.03 0.01 -0.64 -1.12 114.94 120.48 2b2x s ASN 83 Ca 0.05 -0.92 -0.13 0.00 -0.71 0.00 0.00 52.86 51.14 2b2x s ASN 83 Cb -0.15 -0.60 0.11 0.00 0.41 0.00 0.00 41.25 41.03 2b2x s ASN 83 CO -0.02 -0.31 0.67 -1.20 -1.51 0.00 0.00 177.10 174.72 2b2x n SER 84 N -1.08 -2.42 -4.67 -1.22 7.64 -1.18 -4.68 113.62 106.01 2b2x n SER 84 Ca -0.03 -1.02 -0.41 0.00 1.01 0.00 0.00 58.87 58.42 2b2x n SER 84 Cb 0.62 -2.77 0.02 0.00 -1.01 0.00 0.00 64.21 61.07 2b2x n SER 84 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2b2x n LEU 85 N -4.40 3.74 -4.45 -3.43 4.77 -0.80 -4.64 117.00 107.79 2b2x n LEU 85 Ca -0.03 1.06 -0.22 0.00 -0.03 0.00 0.00 56.01 56.78 2b2x n LEU 85 Cb 0.55 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.08 2b2x n LEU 85 CO 0.83 -0.95 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.38 2b2x s ARG 86 N -2.24 1.59 0.51 3.23 0.52 -1.26 -0.16 118.95 121.14 2b2x s ARG 86 Ca 0.63 -1.76 0.21 0.00 -0.52 0.00 0.00 55.73 54.29 2b2x s ARG 86 Cb -0.51 -1.49 1.29 0.00 0.52 0.00 0.00 34.95 34.77 2b2x s ARG 86 CO 0.56 0.21 2.03 0.00 0.02 0.00 0.00 175.30 178.12 2b2x h ALA 87 N 2.30 2.27 0.00 2.13 0.00 -1.96 -0.47 119.26 123.54 2b2x h ALA 87 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2b2x h ALA 87 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2b2x h ALA 87 CO 0.64 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.90 2b2x n GLU 88 N -4.44 0.12 0.00 0.00 4.71 -1.26 -1.92 120.64 117.85 2b2x n GLU 88 Ca 0.06 0.38 0.15 0.00 -0.01 0.00 0.00 57.16 57.74 2b2x n GLU 88 Cb 0.42 -1.74 0.72 0.00 -1.01 0.00 0.00 31.44 29.83 2b2x n GLU 88 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2b2x n ASP 89 N -1.98 0.58 -4.72 1.62 10.43 -0.18 -4.86 116.55 117.44 2b2x n ASP 89 Ca 0.02 -1.01 -0.42 0.00 2.57 0.00 0.00 54.79 55.96 2b2x n ASP 89 Cb 0.19 -0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.10 2b2x n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2b2x s THR 90 N -2.15 2.79 0.00 -3.53 2.01 -0.81 -4.88 115.64 109.07 2b2x s THR 90 Ca 0.39 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.96 2b2x s THR 90 Cb 0.21 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2b2x s THR 90 CO 0.39 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 2b2x n ALA 91 N 3.96 0.00 -2.68 7.40 0.00 -0.61 -4.36 120.51 124.23 2b2x n ALA 91 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 2b2x n ALA 91 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 2b2x n ALA 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2b2x s VAL 92 N -2.00 5.31 -0.20 0.00 1.01 -0.75 -0.70 120.40 123.07 2b2x s VAL 92 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 2b2x s VAL 92 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2b2x s VAL 92 CO 0.00 0.33 0.12 -0.31 0.00 0.00 0.00 175.10 175.23 2b2x s TYR 93 N 1.02 3.38 -0.10 5.22 1.51 -0.12 -1.25 117.35 127.01 2b2x s TYR 93 Ca 0.12 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.47 2b2x s TYR 93 Cb -0.14 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2b2x s TYR 93 CO 0.05 0.27 -0.12 0.71 -1.11 0.00 0.00 175.55 175.35 2b2x s TYR 94 N 0.34 2.82 0.13 2.71 2.02 0.22 -1.83 117.35 123.76 2b2x s TYR 94 Ca 0.07 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.27 2b2x s TYR 94 Cb -0.11 -1.77 -0.07 0.00 -0.40 0.00 0.00 41.96 39.61 2b2x s TYR 94 CO -0.02 0.02 0.55 0.00 -1.57 0.00 0.00 175.55 174.53 2b2x s THR 96 N -1.40 0.00 0.03 0.00 -1.32 -0.14 -2.65 115.64 110.17 2b2x s THR 96 Ca 0.36 -0.02 -0.17 0.00 -1.21 0.00 0.00 61.69 60.65 2b2x s THR 96 Cb -0.16 -0.48 -0.06 0.00 -1.51 0.00 0.00 72.50 70.29 2b2x s THR 96 CO 0.19 -0.01 0.50 -0.60 -2.21 0.00 0.00 174.62 172.49 2b2x s ARG 97 N 0.12 4.10 0.28 7.08 3.52 -0.60 -1.61 118.95 131.83 2b2x s ARG 97 Ca -0.01 0.59 0.06 0.00 -0.13 0.00 0.00 55.73 56.24 2b2x s ARG 97 Cb -0.02 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2b2x s ARG 97 CO 0.01 0.62 0.33 0.20 -0.81 0.00 0.00 175.30 175.64 2b2x s GLY 98 N -0.95 1.44 0.10 8.12 0.00 -0.78 0.10 107.32 115.36 2b2x s GLY 98 Ca 0.27 -1.40 0.10 0.00 0.00 0.00 0.00 44.72 43.69 2b2x s GLY 98 CO 0.16 -1.39 -0.26 -0.12 0.00 0.00 0.00 173.10 171.49 2b2x s PHE 99 N -2.12 2.33 0.00 1.90 2.19 -0.42 -4.59 117.98 117.27 2b2x s PHE 99 Ca 0.37 -0.38 0.00 0.00 0.33 0.00 0.00 56.93 57.25 2b2x s PHE 99 Cb -0.08 -1.30 0.00 0.00 -1.31 0.00 0.00 43.02 40.33 2b2x s PHE 99 CO 0.28 0.28 0.00 0.41 1.83 0.00 0.00 175.22 178.02 2b2x n GLY 100 N 1.16 3.49 0.00 13.12 0.00 -1.26 -0.85 105.19 120.84 2b2x n GLY 100 Ca -0.18 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2b2x n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b2x n ASP 101 N 6.00 0.00 0.00 1.61 8.00 -1.26 -4.84 116.55 126.06 2b2x n ASP 101 Ca 0.00 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.08 2b2x n ASP 101 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2b2x n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2x n GLY 102 N 0.60 1.84 0.00 0.44 0.00 -0.03 -4.97 105.19 103.06 2b2x n GLY 102 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 2b2x n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b2x n GLY 103 N -1.22 -0.65 3.18 -0.02 0.00 -1.24 -4.28 105.19 100.97 2b2x n GLY 103 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2b2x n GLY 103 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b2x s TYR 104 N -2.24 3.04 -0.98 1.61 6.04 -1.25 -4.98 117.35 118.59 2b2x s TYR 104 Ca 0.21 -1.61 -0.22 0.00 0.04 0.00 0.00 57.07 55.49 2b2x s TYR 104 Cb 0.11 -2.03 0.07 0.00 -1.04 0.00 0.00 41.96 39.07 2b2x s TYR 104 CO 0.22 -0.75 1.35 -0.06 -1.54 0.00 0.00 175.55 174.77 2b2x s PHE 105 N 1.31 2.69 0.22 4.97 0.08 -1.26 -1.30 117.98 124.69 2b2x s PHE 105 Ca 0.00 -0.97 -0.09 0.00 0.12 0.00 0.00 56.93 55.99 2b2x s PHE 105 Cb -0.16 -4.58 0.18 0.00 -0.57 0.00 0.00 43.02 37.89 2b2x s PHE 105 CO -0.06 -1.81 1.86 0.22 -0.10 0.00 0.00 175.22 175.33 2b2x h ASP 106 N 9.53 0.99 -3.96 1.36 1.82 -0.65 -3.45 116.42 122.06 2b2x h ASP 106 Ca 0.17 -0.07 -0.24 0.00 -0.39 0.00 0.00 57.03 56.50 2b2x h ASP 106 Cb 1.02 -0.25 -0.27 0.00 0.68 0.00 0.00 39.33 40.51 2b2x h ASP 106 CO 1.33 0.77 -0.72 -0.69 -1.61 0.00 0.00 179.24 178.32 2b2x s VAL 107 N -5.96 0.12 0.06 2.25 1.01 -1.22 -4.94 120.40 111.72 2b2x s VAL 107 Ca -0.13 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2b2x s VAL 107 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.38 2b2x s VAL 107 CO 0.80 -0.05 -0.15 0.26 0.00 0.00 0.00 175.10 175.96 2b2x s TRP 108 N -0.26 1.32 0.00 5.22 0.52 -1.26 -1.56 118.94 122.91 2b2x s TRP 108 Ca -0.02 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.69 2b2x s TRP 108 Cb -0.02 -0.76 0.00 0.00 -1.15 0.00 0.00 33.47 31.54 2b2x s TRP 108 CO -0.00 0.07 0.00 0.41 0.02 0.00 0.00 176.95 177.45 2b2x n GLY 109 N 1.53 0.42 0.06 0.98 0.00 -1.08 -4.65 105.19 102.46 2b2x n GLY 109 Ca -0.20 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.07 2b2x n GLY 109 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b2x n GLN 110 N -0.75 0.24 0.00 1.61 6.02 -1.26 -4.90 117.38 118.34 2b2x n GLN 110 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2b2x n GLN 110 Cb 0.00 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.58 2b2x n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b2x n GLY 111 N 1.36 0.94 2.94 1.08 0.00 -1.26 -5.04 105.19 105.21 2b2x n GLY 111 Ca 0.04 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 2b2x n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b2x s THR 112 N -2.54 0.38 -0.29 2.61 -1.32 -0.76 -4.73 115.64 109.00 2b2x s THR 112 Ca 0.00 -0.18 -0.21 0.00 -1.21 0.00 0.00 61.69 60.09 2b2x s THR 112 Cb 0.00 -0.34 -0.01 0.00 -1.51 0.00 0.00 72.50 70.64 2b2x s THR 112 CO 0.00 0.12 0.65 -0.22 -2.21 0.00 0.00 174.62 172.97 2b2x s LEU 113 N 0.04 4.11 -0.23 9.08 0.20 -1.26 -0.95 118.68 129.66 2b2x s LEU 113 Ca 0.00 0.57 -0.06 0.00 0.69 0.00 0.00 54.13 55.33 2b2x s LEU 113 Cb -0.04 -2.87 -0.02 0.00 -0.43 0.00 0.00 46.19 42.83 2b2x s LEU 113 CO -0.00 -0.46 0.03 -0.69 -0.29 0.00 0.00 176.35 174.94 2b2x s VAL 114 N 2.62 4.05 -0.19 1.68 1.01 0.12 -0.52 120.40 129.17 2b2x s VAL 114 Ca 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2b2x s VAL 114 Cb -0.15 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2b2x s VAL 114 CO 0.11 0.37 -0.11 -0.89 0.00 0.00 0.00 175.10 174.58 2b2x s THR 115 N 1.46 2.91 -0.33 3.92 2.01 -0.43 -1.57 115.64 123.61 2b2x s THR 115 Ca 0.05 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 2b2x s THR 115 Cb -0.15 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.12 2b2x s THR 115 CO 0.02 0.47 0.08 -0.69 -0.69 0.00 0.00 174.62 173.81 2b2x s VAL 116 N 1.26 3.59 0.13 3.82 1.01 -1.26 -0.98 120.40 127.97 2b2x s VAL 116 Ca 0.03 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 2b2x s VAL 116 Cb -0.14 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.27 2b2x s VAL 116 CO -0.05 -0.15 0.79 -0.55 0.00 0.00 0.00 175.10 175.14 2b2x s SER 117 N 1.37 -0.36 0.02 3.32 0.15 -0.71 -4.44 113.70 113.05 2b2x s SER 117 Ca -0.02 -0.21 0.22 0.00 0.70 0.00 0.00 55.95 56.64 2b2x s SER 117 Cb -0.19 0.53 -0.19 0.00 -1.71 0.00 0.00 66.02 64.45 2b2x s SER 117 CO 0.02 -0.92 0.73 -1.20 1.20 0.00 0.00 173.24 173.07 2b2x n SER 118 N -0.38 0.39 -4.47 5.45 7.64 -1.26 -3.81 113.62 117.18 2b2x n SER 118 Ca -0.10 -0.14 -0.38 0.00 1.01 0.00 0.00 58.87 59.27 2b2x n SER 118 Cb 0.62 1.39 0.04 0.00 -1.01 0.00 0.00 64.21 65.24 2b2x n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b2x n ALA 119 N -2.05 -1.08 -2.47 -0.43 0.00 -1.26 -4.95 120.51 108.27 2b2x n ALA 119 Ca -0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 2b2x n ALA 119 Cb 0.51 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 2b2x n ALA 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2b2x s LYS 120 N -2.12 3.87 0.18 0.00 2.20 -1.26 -5.03 119.74 117.58 2b2x s LYS 120 Ca 0.69 0.33 -0.33 0.00 -0.36 0.00 0.00 55.97 56.31 2b2x s LYS 120 Cb -0.44 -2.98 -0.13 0.00 -1.51 0.00 0.00 37.83 32.77 2b2x s LYS 120 CO 0.54 0.53 1.67 2.41 -0.36 0.00 0.00 175.35 180.13 2b2x n THR 121 N 0.90 0.03 -3.87 3.43 -1.04 -1.26 -4.72 114.28 107.75 2b2x n THR 121 Ca -0.07 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 2b2x n THR 121 Cb 0.52 -1.79 -0.14 0.00 -1.82 0.00 0.00 70.33 67.11 2b2x n THR 121 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2b2x s THR 122 N 1.19 0.01 0.51 12.58 2.01 0.12 -4.93 115.64 127.13 2b2x s THR 122 Ca 0.77 -0.05 -0.18 0.00 0.31 0.00 0.00 61.69 62.54 2b2x s THR 122 Cb -0.59 -0.06 -0.07 0.00 0.01 0.00 0.00 72.50 71.79 2b2x s THR 122 CO 0.35 -0.03 1.02 -2.16 -0.69 0.00 0.00 174.62 173.12 2b2x s PRO 123 N -0.07 3.74 0.50 4.92 0.04 -1.26 -1.58 135.00 141.29 2b2x s PRO 123 Ca -0.01 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 2b2x s PRO 123 Cb -0.01 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2b2x s PRO 123 CO 0.00 -0.47 0.91 -1.25 0.04 0.00 0.00 177.00 176.23 2b2x s PRO 124 N -3.60 3.79 -0.25 0.56 0.04 -1.26 -4.29 135.00 129.99 2b2x s PRO 124 Ca 0.64 0.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 2b2x s PRO 124 Cb -0.14 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 2b2x s PRO 124 CO 0.26 -0.25 0.04 -1.12 0.04 0.00 0.00 177.00 175.97 2b2x s SER 125 N -3.41 4.91 -0.31 6.66 0.01 -0.32 -4.94 113.70 116.29 2b2x s SER 125 Ca 0.55 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 57.36 2b2x s SER 125 Cb -0.10 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 2b2x s SER 125 CO 0.37 -0.06 0.16 -0.69 0.41 0.00 0.00 173.24 173.44 2b2x s VAL 126 N 1.56 4.70 -0.08 3.43 1.01 -1.26 -1.73 120.40 128.03 2b2x s VAL 126 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2b2x s VAL 126 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2b2x s VAL 126 CO 0.02 0.07 -0.07 -0.31 0.00 0.00 0.00 175.10 174.80 2b2x s TYR 127 N 1.63 2.92 0.31 5.22 4.12 -0.03 -4.97 117.35 126.56 2b2x s TYR 127 Ca 0.05 -0.08 -0.28 0.00 0.02 0.00 0.00 57.07 56.77 2b2x s TYR 127 Cb -0.17 -1.75 -0.09 0.00 -1.52 0.00 0.00 41.96 38.43 2b2x s TYR 127 CO 0.07 0.23 1.07 -1.25 0.02 0.00 0.00 175.55 175.69 2b2x s PRO 128 N -0.55 4.54 -0.35 -1.71 0.04 -1.26 -0.90 135.00 134.81 2b2x s PRO 128 Ca 0.08 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.86 2b2x s PRO 128 Cb -0.12 -3.04 0.10 0.00 0.04 0.00 0.00 34.50 31.49 2b2x s PRO 128 CO 0.02 0.15 0.06 -0.51 0.04 0.00 0.00 177.00 176.76 2b2x s LEU 129 N -1.72 4.71 0.10 -3.56 1.43 0.25 -4.85 118.68 115.04 2b2x s LEU 129 Ca 0.47 -2.18 0.10 0.00 -1.03 0.00 0.00 54.13 51.49 2b2x s LEU 129 Cb -0.29 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2b2x s LEU 129 CO 0.37 -0.38 -0.23 0.00 0.23 0.00 0.00 176.35 176.34 2b2x s ALA 130 N 0.87 2.47 0.00 4.21 0.00 -1.26 -1.64 121.76 126.41 2b2x s ALA 130 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2b2x s ALA 130 Cb -0.19 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2b2x s ALA 130 CO -0.08 0.56 0.00 -0.35 0.00 0.00 0.00 175.76 175.89 2b2x n PRO 131 N 1.12 0.00 0.00 0.00 -0.04 -1.26 -5.08 135.00 129.74 2b2x n PRO 131 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2b2x n PRO 131 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2b2x n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2b2x n SER 139 N 0.00 0.00 -4.00 3.54 2.88 -1.26 -5.18 113.62 109.60 2b2x n SER 139 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2b2x n SER 139 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2b2x n SER 139 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2b2x s MET 140 N -2.87 0.66 0.03 -1.46 1.00 -1.26 -1.38 119.30 114.03 2b2x s MET 140 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 55.69 55.41 2b2x s MET 140 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 34.83 34.15 2b2x s MET 140 CO 0.00 0.15 0.18 0.08 0.00 0.00 0.00 175.02 175.43 2b2x s VAL 141 N -0.11 5.25 -0.15 -6.03 1.01 -0.47 -4.79 120.40 115.12 2b2x s VAL 141 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2b2x s VAL 141 Cb -0.04 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2b2x s VAL 141 CO -0.00 0.22 -0.15 -0.89 0.00 0.00 0.00 175.10 174.28 2b2x s THR 142 N -1.41 2.74 0.45 3.92 2.01 -1.26 -1.93 115.64 120.17 2b2x s THR 142 Ca 0.31 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.58 2b2x s THR 142 Cb -0.13 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2b2x s THR 142 CO 0.23 0.52 0.07 -0.76 -0.69 0.00 0.00 174.62 173.99 2b2x s LEU 143 N 0.67 2.16 0.00 4.42 1.43 0.12 -4.60 118.68 122.88 2b2x s LEU 143 Ca -0.08 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.38 2b2x s LEU 143 Cb -0.16 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.65 2b2x s LEU 143 CO 0.02 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.34 2b2x n GLY 144 N -1.06 -1.24 3.27 -3.19 0.00 -0.65 -0.66 105.19 101.65 2b2x n GLY 144 Ca -0.12 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2b2x n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2x s LEU 146 N 0.39 4.10 -0.84 0.00 2.96 -0.08 -2.73 118.68 122.48 2b2x s LEU 146 Ca -0.02 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 2b2x s LEU 146 Cb -0.04 -2.58 0.21 0.00 0.50 0.00 0.00 46.19 44.28 2b2x s LEU 146 CO -0.02 -0.18 0.72 -0.69 -1.32 0.00 0.00 176.35 174.86 2b2x s VAL 147 N 1.83 4.41 -0.11 1.68 1.01 -0.17 -0.85 120.40 128.20 2b2x s VAL 147 Ca 0.20 -3.52 -0.06 0.00 0.00 0.00 0.00 61.98 58.61 2b2x s VAL 147 Cb -0.15 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2b2x s VAL 147 CO 0.09 -1.04 0.11 -0.75 0.00 0.00 0.00 175.10 173.51 2b2x s LYS 148 N -0.92 3.34 -0.43 2.72 2.20 -0.70 -2.08 119.74 123.87 2b2x s LYS 148 Ca 0.24 -0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2b2x s LYS 148 Cb -0.11 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2b2x s LYS 148 CO -0.10 0.75 0.38 0.41 -0.36 0.00 0.00 175.35 176.43 2b2x n GLY 149 N 2.05 0.48 3.74 5.54 0.00 0.19 -1.18 105.19 116.02 2b2x n GLY 149 Ca -0.20 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 2b2x n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2b2x s TYR 150 N -3.10 2.72 -0.29 1.61 -0.85 -0.93 -4.51 117.35 112.01 2b2x s TYR 150 Ca 0.19 -0.39 -0.23 0.00 -0.52 0.00 0.00 57.07 56.12 2b2x s TYR 150 Cb -0.08 -1.68 0.15 0.00 0.38 0.00 0.00 41.96 40.73 2b2x s TYR 150 CO 0.23 0.31 1.14 0.12 -1.52 0.00 0.00 175.55 175.83 2b2x s PHE 151 N -2.43 -0.36 0.00 -3.49 2.19 -0.62 -0.25 117.98 113.03 2b2x s PHE 151 Ca 0.38 0.83 0.00 0.00 0.33 0.00 0.00 56.93 58.48 2b2x s PHE 151 Cb -0.02 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 42.06 2b2x s PHE 151 CO 0.23 -0.17 0.00 -0.35 1.83 0.00 0.00 175.22 176.76 2b2x n PRO 152 N 2.34 1.16 -1.79 10.12 -0.04 -1.26 0.12 135.00 145.65 2b2x n PRO 152 Ca -0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2b2x n PRO 152 Cb 0.56 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.05 2b2x n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2b2x s GLU 153 N -1.01 3.27 0.58 0.54 0.41 -1.26 -4.79 118.70 116.45 2b2x s GLU 153 Ca 0.00 0.75 0.07 0.00 -0.41 0.00 0.00 54.97 55.39 2b2x s GLU 153 Cb 0.00 -2.04 0.10 0.00 -1.78 0.00 0.00 34.13 30.41 2b2x s GLU 153 CO 0.00 -0.81 0.80 -0.35 -0.49 0.00 0.00 175.26 174.42 2b2x n PRO 154 N -2.91 0.48 -3.88 0.39 -0.04 -1.26 -4.99 135.00 122.80 2b2x n PRO 154 Ca 0.07 -2.91 -0.12 0.00 -0.04 0.00 0.00 63.50 60.50 2b2x n PRO 154 Cb 0.54 -0.31 -0.14 0.00 -0.04 0.00 0.00 33.50 33.56 2b2x n PRO 154 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2b2x s VAL 155 N -2.53 0.01 -0.15 0.52 1.01 -1.26 -4.44 120.40 113.55 2b2x s VAL 155 Ca 0.59 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 2b2x s VAL 155 Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 2b2x s VAL 155 CO 0.38 -0.05 0.06 -0.89 0.00 0.00 0.00 175.10 174.61 2b2x s THR 156 N -0.13 4.82 -0.05 3.92 2.01 0.51 -4.96 115.64 121.76 2b2x s THR 156 Ca -0.02 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 2b2x s THR 156 Cb -0.01 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.40 2b2x s THR 156 CO -0.00 0.52 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.75 2b2x s VAL 157 N -0.16 0.36 0.22 3.82 1.01 -1.26 -1.55 120.40 122.84 2b2x s VAL 157 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2b2x s VAL 157 Cb -0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2b2x s VAL 157 CO 0.01 0.22 0.15 0.42 0.00 0.00 0.00 175.10 175.91 2b2x s THR 158 N 1.48 0.01 -0.03 3.92 -4.23 -0.40 -4.98 115.64 111.42 2b2x s THR 158 Ca -0.03 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 2b2x s THR 158 Cb -0.13 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 2b2x s THR 158 CO -0.03 0.00 -0.19 0.26 -0.54 0.00 0.00 174.62 174.12 2b2x s TRP 159 N -4.05 1.78 -1.62 3.99 0.52 -1.26 -0.12 118.94 118.18 2b2x s TRP 159 Ca 0.39 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 56.00 2b2x s TRP 159 Cb 0.06 -1.17 0.09 0.00 -1.15 0.00 0.00 33.47 31.31 2b2x s TRP 159 CO 0.14 -0.09 0.44 0.09 0.02 0.00 0.00 176.95 177.56 2b2x n ASN 160 N 2.81 -1.09 -2.02 2.95 4.13 0.07 0.30 115.26 122.40 2b2x n ASN 160 Ca -0.16 -1.13 -0.21 0.00 1.68 0.00 0.00 54.58 54.77 2b2x n ASN 160 Cb 0.53 -2.31 -0.05 0.00 -1.54 0.00 0.00 39.78 36.41 2b2x n ASN 160 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2b2x n SER 161 N -2.77 -5.64 0.00 6.41 7.64 -1.26 -1.75 113.62 116.25 2b2x n SER 161 Ca -0.13 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2b2x n SER 161 Cb 0.59 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 2b2x n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b2x n GLY 162 N -0.71 0.89 0.15 0.23 0.00 0.15 -4.90 105.19 100.99 2b2x n GLY 162 Ca -0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.81 2b2x n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b2x h SER 163 N 0.00 0.00 -3.68 1.61 4.64 -1.33 -3.35 113.55 111.44 2b2x h SER 163 Ca 0.00 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.53 2b2x h SER 163 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 2b2x h SER 163 CO 0.00 0.56 0.27 -0.22 -0.87 0.00 0.00 176.83 176.57 2b2x s LEU 164 N -7.15 6.49 -0.02 5.97 2.96 -1.17 -4.80 118.68 120.96 2b2x s LEU 164 Ca 0.00 -3.21 0.18 0.00 -0.22 0.00 0.00 54.13 50.89 2b2x s LEU 164 Cb 0.11 -2.19 -0.26 0.00 0.50 0.00 0.00 46.19 44.35 2b2x s LEU 164 CO 0.74 -0.41 0.51 -1.54 -1.32 0.00 0.00 176.35 174.33 2b2x n SER 165 N 3.24 0.81 -4.86 3.68 3.41 -1.26 -4.36 113.62 114.28 2b2x n SER 165 Ca 0.19 -0.27 -0.31 0.00 -0.26 0.00 0.00 58.87 58.22 2b2x n SER 165 Cb 0.42 1.59 -0.01 0.00 -0.26 0.00 0.00 64.21 65.96 2b2x n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2b2x s SER 166 N -3.70 6.41 -1.45 4.04 0.15 -1.26 -3.95 113.70 113.94 2b2x s SER 166 Ca -0.03 1.40 -0.00 0.00 0.70 0.00 0.00 55.95 58.02 2b2x s SER 166 Cb 0.12 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2b2x s SER 166 CO 0.75 -0.69 0.04 0.61 1.20 0.00 0.00 173.24 175.15 2b2x n GLY 167 N -2.13 -0.50 3.59 9.45 0.00 -1.26 -4.66 105.19 109.67 2b2x n GLY 167 Ca 0.05 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2b2x n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b2x s VAL 168 N -2.86 4.02 -0.30 1.61 1.01 -1.25 -0.89 120.40 121.74 2b2x s VAL 168 Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2b2x s VAL 168 Cb -0.01 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.75 2b2x s VAL 168 CO 0.03 0.56 0.08 -1.00 0.00 0.00 0.00 175.10 174.77 2b2x s HIS 169 N -0.38 1.74 -0.38 5.22 3.76 0.12 -4.96 115.29 120.40 2b2x s HIS 169 Ca 0.06 -1.70 -0.14 0.00 -0.15 0.00 0.00 55.06 53.14 2b2x s HIS 169 Cb -0.12 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.89 2b2x s HIS 169 CO 0.02 -0.85 0.28 0.99 -0.85 0.00 0.00 174.74 174.32 2b2x s THR 170 N 1.61 5.25 0.32 1.30 2.01 -1.26 -0.95 115.64 123.91 2b2x s THR 170 Ca 0.08 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 2b2x s THR 170 Cb -0.17 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 2b2x s THR 170 CO -0.22 -0.20 0.83 -0.36 -0.69 0.00 0.00 174.62 173.98 2b2x s PHE 171 N 1.69 3.51 0.45 4.92 0.40 -0.51 -5.01 117.98 123.44 2b2x s PHE 171 Ca 0.05 1.50 -0.25 0.00 -0.60 0.00 0.00 56.93 57.63 2b2x s PHE 171 Cb -0.18 -2.73 -0.09 0.00 0.51 0.00 0.00 43.02 40.53 2b2x s PHE 171 CO 0.10 0.14 1.37 -0.35 0.70 0.00 0.00 175.22 177.18 2b2x n PRO 172 N 0.09 2.10 -2.11 0.24 -0.04 -1.26 -4.34 135.00 129.69 2b2x n PRO 172 Ca 0.02 0.75 -0.38 0.00 -0.04 0.00 0.00 63.50 63.86 2b2x n PRO 172 Cb 0.52 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2b2x n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b2x s ALA 173 N -1.20 2.99 -0.15 0.55 0.00 -1.26 -4.81 121.76 117.88 2b2x s ALA 173 Ca 0.62 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 2b2x s ALA 173 Cb -0.47 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 2b2x s ALA 173 CO 0.57 -0.86 -0.11 0.08 0.00 0.00 0.00 175.76 175.45 2b2x s VAL 174 N -1.43 3.14 -0.18 0.00 1.01 -0.17 -4.90 120.40 117.86 2b2x s VAL 174 Ca 0.64 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2b2x s VAL 174 Cb -0.33 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2b2x s VAL 174 CO 0.40 0.50 0.45 -0.22 0.00 0.00 0.00 175.10 176.24 2b2x s LEU 175 N 0.64 4.18 -0.14 3.92 2.96 -1.26 -2.50 118.68 126.48 2b2x s LEU 175 Ca -0.06 0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 54.43 2b2x s LEU 175 Cb -0.15 -2.62 0.06 0.00 0.50 0.00 0.00 46.19 43.99 2b2x s LEU 175 CO 0.03 -0.09 0.29 -1.58 -1.32 0.00 0.00 176.35 173.68 2b2x s GLN 176 N 1.24 0.19 -1.31 1.98 0.74 -0.72 -4.92 119.66 116.86 2b2x s GLN 176 Ca 0.22 0.76 -0.05 0.00 0.05 0.00 0.00 55.36 56.34 2b2x s GLN 176 Cb -0.15 0.00 0.01 0.00 1.10 0.00 0.00 33.01 33.98 2b2x s GLN 176 CO 0.09 -0.26 1.03 0.43 -0.55 0.00 0.00 175.29 176.03 2b2x n SER 177 N 5.13 -3.84 -1.30 6.67 7.64 -1.26 -2.46 113.62 124.20 2b2x n SER 177 Ca -0.10 -0.64 -0.15 0.00 1.01 0.00 0.00 58.87 59.00 2b2x n SER 177 Cb 0.50 -4.81 -0.04 0.00 -1.01 0.00 0.00 64.21 58.85 2b2x n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2b2x n ASP 178 N -3.05 -4.66 -3.76 6.43 8.00 -1.26 -5.00 116.55 113.25 2b2x n ASP 178 Ca -0.14 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 2b2x n ASP 178 Cb 0.61 -3.57 -0.14 0.00 -0.02 0.00 0.00 41.12 38.01 2b2x n ASP 178 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2b2x s LEU 179 N -3.61 0.87 0.54 0.64 1.43 -1.03 -4.81 118.68 112.71 2b2x s LEU 179 Ca 0.00 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 2b2x s LEU 179 Cb 0.00 0.41 -0.00 0.00 0.03 0.00 0.00 46.19 46.63 2b2x s LEU 179 CO 0.00 -0.13 0.83 -0.31 0.23 0.00 0.00 176.35 176.97 2b2x s TYR 180 N 0.93 3.29 -0.22 0.29 1.51 0.65 -1.75 117.35 122.05 2b2x s TYR 180 Ca -0.07 0.56 -0.20 0.00 -1.01 0.00 0.00 57.07 56.35 2b2x s TYR 180 Cb -0.09 -2.57 0.06 0.00 -0.11 0.00 0.00 41.96 39.25 2b2x s TYR 180 CO -0.05 -0.63 0.58 0.99 -1.11 0.00 0.00 175.55 175.33 2b2x s THR 181 N -2.85 -0.00 0.08 -0.71 2.01 -1.04 -0.64 115.64 112.50 2b2x s THR 181 Ca 0.52 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 2b2x s THR 181 Cb -0.10 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.62 2b2x s THR 181 CO 0.43 0.00 0.35 -1.48 -0.69 0.00 0.00 174.62 173.24 2b2x s LEU 182 N 0.35 0.64 0.28 4.42 0.05 -0.88 -1.00 118.68 122.53 2b2x s LEU 182 Ca -0.00 -0.26 0.06 0.00 0.05 0.00 0.00 54.13 53.98 2b2x s LEU 182 Cb -0.04 1.61 -0.06 0.00 -2.05 0.00 0.00 46.19 45.65 2b2x s LEU 182 CO 0.00 -0.74 -0.05 -0.94 -0.55 0.00 0.00 176.35 174.07 2b2x s SER 183 N -2.47 2.66 -0.10 1.48 1.04 -1.26 -1.00 113.70 114.05 2b2x s SER 183 Ca -0.00 -1.20 -0.10 0.00 0.48 0.00 0.00 55.95 55.13 2b2x s SER 183 Cb 0.01 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.01 2b2x s SER 183 CO -0.08 -0.36 0.28 -0.55 0.98 0.00 0.00 173.24 173.51 2b2x s SER 184 N -3.43 -0.29 0.08 7.02 0.15 -1.11 -1.43 113.70 114.70 2b2x s SER 184 Ca 0.29 0.56 0.06 0.00 0.70 0.00 0.00 55.95 57.56 2b2x s SER 184 Cb 0.04 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 2b2x s SER 184 CO 0.12 -0.10 -0.16 -0.94 1.20 0.00 0.00 173.24 173.35 2b2x s SER 185 N 0.13 1.92 -0.01 5.45 1.04 -0.13 -1.81 113.70 120.29 2b2x s SER 185 Ca -0.00 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.79 2b2x s SER 185 Cb -0.02 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2b2x s SER 185 CO 0.00 -0.05 -0.01 0.54 0.98 0.00 0.00 173.24 174.70 2b2x s VAL 186 N -1.30 0.15 -0.14 5.02 0.11 0.16 0.14 120.40 124.54 2b2x s VAL 186 Ca 0.01 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2b2x s VAL 186 Cb -0.10 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2b2x s VAL 186 CO 0.03 0.06 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.77 2b2x s THR 187 N 0.18 2.24 0.15 5.04 2.01 -0.07 -0.70 115.64 124.48 2b2x s THR 187 Ca -0.01 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.11 2b2x s THR 187 Cb -0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2b2x s THR 187 CO -0.00 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.04 2b2x s VAL 188 N 0.80 1.18 0.41 3.82 -7.23 -0.81 -4.65 120.40 113.92 2b2x s VAL 188 Ca -0.07 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 57.77 2b2x s VAL 188 Cb -0.16 -1.85 -0.10 0.00 0.56 0.00 0.00 36.38 34.84 2b2x s VAL 188 CO -0.01 -0.74 1.43 -0.81 -0.31 0.00 0.00 175.10 174.66 2b2x n PRO 189 N -0.20 2.39 0.23 4.82 -0.04 -1.26 -1.37 135.00 139.58 2b2x n PRO 189 Ca -0.10 0.85 0.18 0.00 -0.04 0.00 0.00 63.50 64.38 2b2x n PRO 189 Cb 0.61 -2.60 0.86 0.00 -0.04 0.00 0.00 33.50 32.33 2b2x n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2b2x h SER 190 N 2.56 0.00 -0.27 3.54 4.64 -1.53 0.51 113.55 123.00 2b2x h SER 190 Ca -0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2b2x h SER 190 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2b2x h SER 190 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 2b2x n SER 191 N -3.54 3.20 -0.02 4.97 3.41 -1.26 -3.56 113.62 116.82 2b2x n SER 191 Ca 0.01 -2.43 -0.02 0.00 -0.26 0.00 0.00 58.87 56.17 2b2x n SER 191 Cb 0.34 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2b2x n SER 191 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2b2x n THR 192 N 0.29 0.23 -4.99 6.66 -1.04 0.17 -4.85 114.28 110.76 2b2x n THR 192 Ca 0.13 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 2b2x n THR 192 Cb 0.69 -0.88 -0.16 0.00 -1.82 0.00 0.00 70.33 68.16 2b2x n THR 192 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 2b2x s TRP 193 N -2.08 1.91 -1.34 -1.42 -0.00 -1.23 0.12 118.94 114.90 2b2x s TRP 193 Ca -0.02 -0.48 0.11 0.00 -0.00 0.00 0.00 56.10 55.70 2b2x s TRP 193 Cb 0.01 -1.26 0.42 0.00 -0.00 0.00 0.00 33.47 32.65 2b2x s TRP 193 CO 0.13 -0.13 1.27 -0.35 -0.00 0.00 0.00 176.95 177.88 2b2x n PRO 194 N 2.89 2.57 -0.29 5.86 -0.04 -1.26 -4.82 135.00 139.91 2b2x n PRO 194 Ca -0.17 -1.66 -0.05 0.00 -0.04 0.00 0.00 63.50 61.58 2b2x n PRO 194 Cb 0.53 -1.61 0.07 0.00 -0.04 0.00 0.00 33.50 32.44 2b2x n PRO 194 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2b2x h SER 195 N 2.40 0.95 -3.15 3.54 4.64 -1.88 -3.41 113.55 116.65 2b2x h SER 195 Ca 0.00 -0.07 -0.66 0.00 -0.47 0.00 0.00 61.79 60.59 2b2x h SER 195 Cb 0.93 -0.24 -0.11 0.00 -0.31 0.00 0.00 62.40 62.67 2b2x h SER 195 CO 0.13 0.74 -0.59 -1.61 -0.87 0.00 0.00 176.83 174.64 2b2x s GLU 196 N -5.95 3.03 0.26 4.77 2.02 0.33 -5.09 118.70 118.07 2b2x s GLU 196 Ca -0.13 -0.48 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 2b2x s GLU 196 Cb 0.15 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.46 2b2x s GLU 196 CO 0.80 0.66 1.13 0.99 0.02 0.00 0.00 175.26 178.85 2b2x s THR 197 N -1.12 3.48 -0.09 3.63 2.01 -1.26 -4.33 115.64 117.95 2b2x s THR 197 Ca 0.20 1.43 -0.00 0.00 0.31 0.00 0.00 61.69 63.64 2b2x s THR 197 Cb -0.12 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.50 2b2x s THR 197 CO 0.11 0.32 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.62 2b2x s VAL 198 N -0.93 0.81 -0.01 3.82 1.01 -1.26 -4.97 120.40 118.87 2b2x s VAL 198 Ca 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 2b2x s VAL 198 Cb -0.32 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2b2x s VAL 198 CO 0.41 0.33 0.03 0.42 0.00 0.00 0.00 175.10 176.29 2b2x s THR 199 N 1.64 0.01 -0.16 3.92 -4.23 -1.26 -0.14 115.64 115.42 2b2x s THR 199 Ca 0.02 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.38 2b2x s THR 199 Cb -0.13 -0.07 -0.05 0.00 1.34 0.00 0.00 72.50 73.59 2b2x s THR 199 CO -0.06 -0.03 0.17 0.00 -0.54 0.00 0.00 174.62 174.17 2b2x s ASN 201 N -0.14 5.76 -0.07 0.00 0.01 0.83 -1.35 114.94 119.99 2b2x s ASN 201 Ca 0.12 -0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.20 2b2x s ASN 201 Cb -0.12 -2.06 0.01 0.00 0.41 0.00 0.00 41.25 39.49 2b2x s ASN 201 CO 0.02 -0.06 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.71 2b2x s VAL 202 N 1.71 1.34 0.02 1.60 1.01 -0.28 -1.27 120.40 124.53 2b2x s VAL 202 Ca 0.07 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2b2x s VAL 202 Cb -0.16 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 2b2x s VAL 202 CO 0.09 0.40 -0.14 0.00 0.00 0.00 0.00 175.10 175.45 2b2x s ALA 203 N 0.62 1.18 -0.40 5.51 0.00 -0.60 -0.87 121.76 127.20 2b2x s ALA 203 Ca -0.15 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2b2x s ALA 203 Cb -0.16 -0.22 0.13 0.00 0.00 0.00 0.00 23.12 22.87 2b2x s ALA 203 CO 0.04 0.25 0.21 -1.58 0.00 0.00 0.00 175.76 174.68 2b2x s HIS 204 N -0.67 1.66 0.48 0.00 2.46 -0.30 -0.36 115.29 118.55 2b2x s HIS 204 Ca 0.03 -2.16 0.21 0.00 0.47 0.00 0.00 55.06 53.62 2b2x s HIS 204 Cb -0.07 -1.65 1.24 0.00 -0.13 0.00 0.00 32.58 31.97 2b2x s HIS 204 CO 0.01 -0.80 1.95 -1.00 -2.47 0.00 0.00 174.74 172.42 2b2x h PRO 205 N 6.97 0.20 0.00 2.88 0.13 -1.81 -2.20 132.00 138.17 2b2x h PRO 205 Ca -0.01 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2b2x h PRO 205 Cb 0.95 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2b2x h PRO 205 CO 0.43 0.13 -0.12 0.00 -0.23 0.00 0.00 178.00 178.21 2b2x h ALA 206 N 1.67 1.51 -0.19 -0.56 0.00 -1.91 -1.62 119.26 118.16 2b2x h ALA 206 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2b2x h ALA 206 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2b2x h ALA 206 CO -0.06 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 2b2x n SER 207 N -3.97 2.84 -4.00 0.00 3.41 -0.97 -4.98 113.62 105.95 2b2x n SER 207 Ca -0.02 -2.40 -0.27 0.00 -0.26 0.00 0.00 58.87 55.92 2b2x n SER 207 Cb 0.21 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 2b2x n SER 207 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2b2x n SER 208 N -0.26 -0.48 -4.57 4.04 2.88 -0.61 -4.96 113.62 109.67 2b2x n SER 208 Ca 0.12 -1.06 -0.34 0.00 -1.33 0.00 0.00 58.87 56.26 2b2x n SER 208 Cb 0.52 -2.79 -0.11 0.00 -0.75 0.00 0.00 64.21 61.08 2b2x n SER 208 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2b2x s THR 209 N -3.99 4.02 -0.03 2.46 2.01 -0.91 -5.00 115.64 114.21 2b2x s THR 209 Ca 0.04 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.73 2b2x s THR 209 Cb -0.02 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.77 2b2x s THR 209 CO 0.91 0.54 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.78 2b2x s LYS 210 N -0.15 0.72 -0.20 4.92 1.02 -1.26 -1.15 119.74 123.65 2b2x s LYS 210 Ca 0.03 -0.17 -0.13 0.00 0.02 0.00 0.00 55.97 55.73 2b2x s LYS 210 Cb -0.13 -0.72 0.06 0.00 -0.52 0.00 0.00 37.83 36.52 2b2x s LYS 210 CO 0.02 0.02 0.49 0.54 -0.92 0.00 0.00 175.35 175.50 2b2x s VAL 211 N 0.45 -0.01 -0.42 3.17 0.11 -0.05 -5.01 120.40 118.64 2b2x s VAL 211 Ca -0.06 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 2b2x s VAL 211 Cb -0.10 -0.71 0.10 0.00 -1.53 0.00 0.00 36.38 34.14 2b2x s VAL 211 CO 0.00 0.02 0.24 -1.81 -3.33 0.00 0.00 175.10 170.22 2b2x s ASP 212 N 1.11 5.43 -0.48 3.54 1.01 -1.26 -1.13 116.67 124.89 2b2x s ASP 212 Ca -0.07 -1.80 -0.16 0.00 0.71 0.00 0.00 52.55 51.23 2b2x s ASP 212 Cb -0.06 -1.90 0.07 0.00 1.01 0.00 0.00 42.92 42.03 2b2x s ASP 212 CO -0.10 -0.55 0.46 -0.75 0.21 0.00 0.00 175.17 174.43 2b2x s LYS 213 N 1.28 3.02 0.40 8.23 2.47 -0.45 -4.92 119.74 129.76 2b2x s LYS 213 Ca 0.05 -1.25 -0.25 0.00 -1.56 0.00 0.00 55.97 52.96 2b2x s LYS 213 Cb -0.23 -4.13 -0.08 0.00 -1.46 0.00 0.00 37.83 31.92 2b2x s LYS 213 CO -0.01 -1.09 1.17 0.21 0.16 0.00 0.00 175.35 175.78 2b2x s LYS 214 N 1.90 4.06 -0.46 4.03 2.20 -1.26 -1.30 119.74 128.91 2b2x s LYS 214 Ca 0.07 1.84 -0.17 0.00 -0.36 0.00 0.00 55.97 57.34 2b2x s LYS 214 Cb -0.23 -2.67 0.05 0.00 -1.51 0.00 0.00 37.83 33.46 2b2x s LYS 214 CO 0.08 -0.32 0.47 0.42 -0.36 0.00 0.00 175.35 175.64 2b2x s ILE 215 N -1.42 5.08 -0.13 5.43 -1.09 0.80 -4.90 121.20 124.97 2b2x s ILE 215 Ca 0.57 -0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.32 2b2x s ILE 215 Cb -0.31 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2b2x s ILE 215 CO 0.38 -0.56 0.09 -0.69 -1.23 0.00 0.00 174.94 172.93 2b2x s VAL 216 N 2.10 5.07 -2.00 2.92 1.01 -1.26 -4.69 120.40 123.55 2b2x s VAL 216 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2b2x s VAL 216 Cb -0.20 -3.22 0.19 0.00 0.00 0.00 0.00 36.38 33.16 2b2x s VAL 216 CO 0.11 0.56 0.87 -0.81 0.00 0.00 0.00 175.10 175.83